ethyl 3-[4-cyano-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate

Systemtic Name: ethyl 3-[4-cyano-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate CAS Name: 3-[4-cyano-3-methyl-1-(2-methyl-1-imidazolyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propanoate Traditional Name: 3-[4-cyano-3-methyl-1-(2-methylimidazol-1-yl)-5H-pyrido[1,2-a]benzimidazol-10-ium-2-yl]propionic acid ethyl ester Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C=CN=C4C

Isomeric SMILES

CCOC(=O)CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4C=CN=C4C

InChI

InChI=1S/C22H21N5O2/c1-4-29-20(28)10-9-16-14(2)17(13-23)21-25-18-7-5-6-8-19(18)27(21)22(16)26-12-11-24-15(26)3/h5-8,11-12H,4,9-10H2,1-3H3/p+1